[(2R,5S)-9-amino-5-[[(2R,5S)-9-amino-5-[[(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-methyl-4-oxononanoyl]amino]-4-oxononan-2-yl]boronic acid;[(2R,5S)-9-amino-5-[[(2R,5S)-8-amino-5-[[(2R)-2-(3-aminopropyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-ethyl-4,8-dioxooctanoyl]amino]-4-oxononan-2-yl]boronic acid;(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-N-[(2R,3S,6R)-2-hydroxy-7-[[(2S,5R)-1-(4-hydroxyphenyl)-3-oxo-5-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexan-2-yl]amino]-6-methyl-4,7-dioxoheptan-3-yl]-4,8-dioxooctanamide;(2R,5S,6R)-N-[(3S,6R)-1-amino-1,4-dioxo-6-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]heptan-3-yl]-5-[[(5R)-5-[[(2R)-4-[4-(4-butylphenyl)phenyl]-2-(hydroxymethyl)-4-oxobutanoyl]amino]-4-oxohexanoyl]-methylamino]-6-hydroxy-2-methyl-4-oxoheptanamide

C204H299B4N17O39 — CID 160539749

About [(2R,5S)-9-amino-5-[[(2R,5S)-9-amino-5-[[(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-methyl-4-oxononanoyl]amino]-4-oxononan-2-yl]boronic acid;[(2R,5S)-9-amino-5-[[(2R,5S)-8-amino-5-[[(2R)-2-(3-aminopropyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-ethyl-4,8-dioxooctanoyl]amino]-4-oxononan-2-yl]boronic acid;(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-N-[(2R,3S,6R)-2-hydroxy-7-[[(2S,5R)-1-(4-hydroxyphenyl)-3-oxo-5-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexan-2-yl]amino]-6-methyl-4,7-dioxoheptan-3-yl]-4,8-dioxooctanamide;(2R,5S,6R)-N-[(3S,6R)-1-amino-1,4-dioxo-6-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]heptan-3-yl]-5-[[(5R)-5-[[(2R)-4-[4-(4-butylphenyl)phenyl]-2-(hydroxymethyl)-4-oxobutanoyl]amino]-4-oxohexanoyl]-methylamino]-6-hydroxy-2-methyl-4-oxoheptanamide

[(2R,5S)-9-amino-5-[[(2R,5S)-9-amino-5-[[(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-methyl-4-oxononanoyl]amino]-4-oxononan-2-yl]boronic acid;[(2R,5S)-9-amino-5-[[(2R,5S)-8-amino-5-[[(2R)-2-(3-aminopropyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-ethyl-4,8-dioxooctanoyl]amino]-4-oxononan-2-yl]boronic acid;(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-N-[(2R,3S,6R)-2-hydroxy-7-[[(2S,5R)-1-(4-hydroxyphenyl)-3-oxo-5-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexan-2-yl]amino]-6-methyl-4,7-dioxoheptan-3-yl]-4,8-dioxooctanamide;(2R,5S,6R)-N-[(3S,6R)-1-amino-1,4-dioxo-6-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]heptan-3-yl]-5-[[(5R)-5-[[(2R)-4-[4-(4-butylphenyl)phenyl]-2-(hydroxymethyl)-4-oxobutanoyl]amino]-4-oxohexanoyl]-methylamino]-6-hydroxy-2-methyl-4-oxoheptanamide (PubChem CID 160539749) has the molecular formula C204H299B4N17O39 and a molecular weight of 3656.96 g/mol. Its IUPAC name is [(2R,5S)-9-amino-5-[[(2R,5S)-9-amino-5-[[(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-methyl-4-oxononanoyl]amino]-4-oxononan-2-yl]boronic acid;[(2R,5S)-9-amino-5-[[(2R,5S)-8-amino-5-[[(2R)-2-(3-aminopropyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-ethyl-4,8-dioxooctanoyl]amino]-4-oxononan-2-yl]boronic acid;(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-N-[(2R,3S,6R)-2-hydroxy-7-[[(2S,5R)-1-(4-hydroxyphenyl)-3-oxo-5-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexan-2-yl]amino]-6-methyl-4,7-dioxoheptan-3-yl]-4,8-dioxooctanamide;(2R,5S,6R)-N-[(3S,6R)-1-amino-1,4-dioxo-6-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]heptan-3-yl]-5-[[(5R)-5-[[(2R)-4-[4-(4-butylphenyl)phenyl]-2-(hydroxymethyl)-4-oxobutanoyl]amino]-4-oxohexanoyl]-methylamino]-6-hydroxy-2-methyl-4-oxoheptanamide.

Molecular Properties

• Compound Name: [(2R,5S)-9-amino-5-[[(2R,5S)-9-amino-5-[[(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-methyl-4-oxononanoyl]amino]-4-oxononan-2-yl]boronic acid;[(2R,5S)-9-amino-5-[[(2R,5S)-8-amino-5-[[(2R)-2-(3-aminopropyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-ethyl-4,8-dioxooctanoyl]amino]-4-oxononan-2-yl]boronic acid;(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-N-[(2R,3S,6R)-2-hydroxy-7-[[(2S,5R)-1-(4-hydroxyphenyl)-3-oxo-5-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexan-2-yl]amino]-6-methyl-4,7-dioxoheptan-3-yl]-4,8-dioxooctanamide;(2R,5S,6R)-N-[(3S,6R)-1-amino-1,4-dioxo-6-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]heptan-3-yl]-5-[[(5R)-5-[[(2R)-4-[4-(4-butylphenyl)phenyl]-2-(hydroxymethyl)-4-oxobutanoyl]amino]-4-oxohexanoyl]-methylamino]-6-hydroxy-2-methyl-4-oxoheptanamide
• PubChem CID: 160539749
• Molecular Formula: C204H299B4N17O39
• Molecular Weight: 3656.96 g/mol
• Exact Mass: 3655.23
• IUPAC Name: [(2R,5S)-9-amino-5-[[(2R,5S)-9-amino-5-[[(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-methyl-4-oxononanoyl]amino]-4-oxononan-2-yl]boronic acid;[(2R,5S)-9-amino-5-[[(2R,5S)-8-amino-5-[[(2R)-2-(3-aminopropyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-ethyl-4,8-dioxooctanoyl]amino]-4-oxononan-2-yl]boronic acid;(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-N-[(2R,3S,6R)-2-hydroxy-7-[[(2S,5R)-1-(4-hydroxyphenyl)-3-oxo-5-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexan-2-yl]amino]-6-methyl-4,7-dioxoheptan-3-yl]-4,8-dioxooctanamide;(2R,5S,6R)-N-[(3S,6R)-1-amino-1,4-dioxo-6-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]heptan-3-yl]-5-[[(5R)-5-[[(2R)-4-[4-(4-butylphenyl)phenyl]-2-(hydroxymethyl)-4-oxobutanoyl]amino]-4-oxohexanoyl]-methylamino]-6-hydroxy-2-methyl-4-oxoheptanamide
• SMILES: CCCCc1ccc(-c2ccc(C(=O)CC(CO)C(=O)N[C@H](C)C(=O)CCC(=O)N(C)[C@H](C(=O)C[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)C[C@@H](C)B3OC4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3)[C@@H](C)O)cc2)cc1.CCCCc1ccc(-c2ccc(C(=O)CCCC(=O)C[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)C[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)C[C@@H](C)B(O)O)cc2)cc1.CCCCc1ccc(-c2ccc(C(=O)CCCC(=O)C[C@@H](CCCCN)C(=O)N[C@H](C(=O)C[C@@H](C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)C[C@@H](C)B3OC4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3)[C@@H](C)O)cc2)cc1.CCCCc1ccc(-c2ccc(C(=O)CCCC(=O)C[C@@H](CCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)C[C@@H](CC)C(=O)N[C@@H](CCCCN)C(=O)C[C@@H](C)B(O)O)cc2)cc1
• InChI: InChI=1S/C58H80BN3O10.C53H75BN4O12.C47H74BN5O8.C46H70BN5O9/c1-8-9-13-39-17-21-41(22-18-39)42-23-25-43(26-24-42)49(66)16-12-15-47(65)33-44(14-10-11-29-60)56(70)62-54(38(4)63)51(68)30-36(2)55(69)61-48(32-40-19-27-46(64)28-20-40)50(67)31-37(3)59-71-53-35-45-34-52(57(45,5)6)58(53,7)72-59;1-10-11-12-34-13-15-35(16-14-34)36-17-19-37(20-18-36)42(62)25-38(29-59)51(68)56-32(4)41(61)21-22-48(66)58(9)49(33(5)60)44(64)23-30(2)50(67)57-40(28-47(55)65)43(63)24-31(3)54-69-46-27-39-26-45(52(39,6)7)53(46,8)70-54;1-4-5-13-35-19-21-36(22-20-35)37-23-25-38(26-24-37)43(55)18-12-15-40(54)32-39(14-6-9-27-49)47(59)53-41(16-7-10-28-50)44(56)30-33(2)46(58)52-42(17-8-11-29-51)45(57)31-34(3)48(60)61;1-4-6-11-32-16-18-34(19-17-32)35-20-22-36(23-21-35)41(54)15-9-13-38(53)29-37(12-10-27-49)46(59)52-40(24-25-44(50)57)43(56)30-33(5-2)45(58)51-39(14-7-8-26-48)42(55)28-31(3)47(60)61/h17-28,36-38,44-45,48,52-54,63-64H,8-16,29-35,60H2,1-7H3,(H,61,69)(H,62,70);13-20,30-33,38-40,45-46,49,59-60H,10-12,21-29H2,1-9H3,(H2,55,65)(H,56,68)(H,57,67);19-26,33-34,39,41-42,60-61H,4-18,27-32,49-51H2,1-3H3,(H,52,58)(H,53,59);16-23,31,33,37,39-40,60-61H,4-15,24-30,48-49H2,1-3H3,(H2,50,57)(H,51,58)(H,52,59)/t36-,37-,38-,44-,45+,48+,52+,53?,54+,58+;30-,31-,32-,33-,38?,39+,40+,45+,46?,49+,53+;33-,34-,39-,41+,42+;31-,33-,37-,39+,40+/m1111/s1
• InChIKey: QWPZERWDQNAHOU-DPIIQCDBSA-N
• XLogP: 23.63
• TPSA: 967.29 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 45
• Rotatable Bonds: 123
• Heavy Atoms: 264
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3656.96
LogP ≤ 5	23.63
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-9-amino-5-[[(2R,5S)-9-amino-5-[[(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-methyl-4-oxononanoyl]amino]-4-oxononan-2-yl]boronic acid;[(2R,5S)-9-amino-5-[[(2R,5S)-8-amino-5-[[(2R)-2-(3-aminopropyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-ethyl-4,8-dioxooctanoyl]amino]-4-oxononan-2-yl]boronic acid;(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-N-[(2R,3S,6R)-2-hydroxy-7-[[(2S,5R)-1-(4-hydroxyphenyl)-3-oxo-5-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexan-2-yl]amino]-6-methyl-4,7-dioxoheptan-3-yl]-4,8-dioxooctanamide;(2R,5S,6R)-N-[(3S,6R)-1-amino-1,4-dioxo-6-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]heptan-3-yl]-5-[[(5R)-5-[[(2R)-4-[4-(4-butylphenyl)phenyl]-2-(hydroxymethyl)-4-oxobutanoyl]amino]-4-oxohexanoyl]-methylamino]-6-hydroxy-2-methyl-4-oxoheptanamide?

The IUPAC name of [(2R,5S)-9-amino-5-[[(2R,5S)-9-amino-5-[[(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-methyl-4-oxononanoyl]amino]-4-oxononan-2-yl]boronic acid;[(2R,5S)-9-amino-5-[[(2R,5S)-8-amino-5-[[(2R)-2-(3-aminopropyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-ethyl-4,8-dioxooctanoyl]amino]-4-oxononan-2-yl]boronic acid;(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-N-[(2R,3S,6R)-2-hydroxy-7-[[(2S,5R)-1-(4-hydroxyphenyl)-3-oxo-5-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexan-2-yl]amino]-6-methyl-4,7-dioxoheptan-3-yl]-4,8-dioxooctanamide;(2R,5S,6R)-N-[(3S,6R)-1-amino-1,4-dioxo-6-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]heptan-3-yl]-5-[[(5R)-5-[[(2R)-4-[4-(4-butylphenyl)phenyl]-2-(hydroxymethyl)-4-oxobutanoyl]amino]-4-oxohexanoyl]-methylamino]-6-hydroxy-2-methyl-4-oxoheptanamide (CID 160539749) is [(2R,5S)-9-amino-5-[[(2R,5S)-9-amino-5-[[(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-methyl-4-oxononanoyl]amino]-4-oxononan-2-yl]boronic acid;[(2R,5S)-9-amino-5-[[(2R,5S)-8-amino-5-[[(2R)-2-(3-aminopropyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-ethyl-4,8-dioxooctanoyl]amino]-4-oxononan-2-yl]boronic acid;(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-N-[(2R,3S,6R)-2-hydroxy-7-[[(2S,5R)-1-(4-hydroxyphenyl)-3-oxo-5-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexan-2-yl]amino]-6-methyl-4,7-dioxoheptan-3-yl]-4,8-dioxooctanamide;(2R,5S,6R)-N-[(3S,6R)-1-amino-1,4-dioxo-6-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]heptan-3-yl]-5-[[(5R)-5-[[(2R)-4-[4-(4-butylphenyl)phenyl]-2-(hydroxymethyl)-4-oxobutanoyl]amino]-4-oxohexanoyl]-methylamino]-6-hydroxy-2-methyl-4-oxoheptanamide.

What is the SMILES notation for [(2R,5S)-9-amino-5-[[(2R,5S)-9-amino-5-[[(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-methyl-4-oxononanoyl]amino]-4-oxononan-2-yl]boronic acid;[(2R,5S)-9-amino-5-[[(2R,5S)-8-amino-5-[[(2R)-2-(3-aminopropyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-ethyl-4,8-dioxooctanoyl]amino]-4-oxononan-2-yl]boronic acid;(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-N-[(2R,3S,6R)-2-hydroxy-7-[[(2S,5R)-1-(4-hydroxyphenyl)-3-oxo-5-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexan-2-yl]amino]-6-methyl-4,7-dioxoheptan-3-yl]-4,8-dioxooctanamide;(2R,5S,6R)-N-[(3S,6R)-1-amino-1,4-dioxo-6-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]heptan-3-yl]-5-[[(5R)-5-[[(2R)-4-[4-(4-butylphenyl)phenyl]-2-(hydroxymethyl)-4-oxobutanoyl]amino]-4-oxohexanoyl]-methylamino]-6-hydroxy-2-methyl-4-oxoheptanamide?

The canonical SMILES for [(2R,5S)-9-amino-5-[[(2R,5S)-9-amino-5-[[(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-methyl-4-oxononanoyl]amino]-4-oxononan-2-yl]boronic acid;[(2R,5S)-9-amino-5-[[(2R,5S)-8-amino-5-[[(2R)-2-(3-aminopropyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-ethyl-4,8-dioxooctanoyl]amino]-4-oxononan-2-yl]boronic acid;(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-N-[(2R,3S,6R)-2-hydroxy-7-[[(2S,5R)-1-(4-hydroxyphenyl)-3-oxo-5-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexan-2-yl]amino]-6-methyl-4,7-dioxoheptan-3-yl]-4,8-dioxooctanamide;(2R,5S,6R)-N-[(3S,6R)-1-amino-1,4-dioxo-6-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]heptan-3-yl]-5-[[(5R)-5-[[(2R)-4-[4-(4-butylphenyl)phenyl]-2-(hydroxymethyl)-4-oxobutanoyl]amino]-4-oxohexanoyl]-methylamino]-6-hydroxy-2-methyl-4-oxoheptanamide is CCCCc1ccc(-c2ccc(C(=O)CC(CO)C(=O)N[C@H](C)C(=O)CCC(=O)N(C)[C@H](C(=O)C[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)C[C@@H](C)B3OC4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3)[C@@H](C)O)cc2)cc1.CCCCc1ccc(-c2ccc(C(=O)CCCC(=O)C[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)C[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)C[C@@H](C)B(O)O)cc2)cc1.CCCCc1ccc(-c2ccc(C(=O)CCCC(=O)C[C@@H](CCCCN)C(=O)N[C@H](C(=O)C[C@@H](C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)C[C@@H](C)B3OC4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3)[C@@H](C)O)cc2)cc1.CCCCc1ccc(-c2ccc(C(=O)CCCC(=O)C[C@@H](CCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)C[C@@H](CC)C(=O)N[C@@H](CCCCN)C(=O)C[C@@H](C)B(O)O)cc2)cc1.

What is the InChIKey of [(2R,5S)-9-amino-5-[[(2R,5S)-9-amino-5-[[(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-methyl-4-oxononanoyl]amino]-4-oxononan-2-yl]boronic acid;[(2R,5S)-9-amino-5-[[(2R,5S)-8-amino-5-[[(2R)-2-(3-aminopropyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-ethyl-4,8-dioxooctanoyl]amino]-4-oxononan-2-yl]boronic acid;(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-N-[(2R,3S,6R)-2-hydroxy-7-[[(2S,5R)-1-(4-hydroxyphenyl)-3-oxo-5-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexan-2-yl]amino]-6-methyl-4,7-dioxoheptan-3-yl]-4,8-dioxooctanamide;(2R,5S,6R)-N-[(3S,6R)-1-amino-1,4-dioxo-6-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]heptan-3-yl]-5-[[(5R)-5-[[(2R)-4-[4-(4-butylphenyl)phenyl]-2-(hydroxymethyl)-4-oxobutanoyl]amino]-4-oxohexanoyl]-methylamino]-6-hydroxy-2-methyl-4-oxoheptanamide?

The InChIKey is QWPZERWDQNAHOU-DPIIQCDBSA-N. The full InChI is InChI=1S/C58H80BN3O10.C53H75BN4O12.C47H74BN5O8.C46H70BN5O9/c1-8-9-13-39-17-21-41(22-18-39)42-23-25-43(26-24-42)49(66)16-12-15-47(65)33-44(14-10-11-29-60)56(70)62-54(38(4)63)51(68)30-36(2)55(69)61-48(32-40-19-27-46(64)28-20-40)50(67)31-37(3)59-71-53-35-45-34-52(57(45,5)6)58(53,7)72-59;1-10-11-12-34-13-15-35(16-14-34)36-17-19-37(20-18-36)42(62)25-38(29-59)51(68)56-32(4)41(61)21-22-48(66)58(9)49(33(5)60)44(64)23-30(2)50(67)57-40(28-47(55)65)43(63)24-31(3)54-69-46-27-39-26-45(52(39,6)7)53(46,8)70-54;1-4-5-13-35-19-21-36(22-20-35)37-23-25-38(26-24-37)43(55)18-12-15-40(54)32-39(14-6-9-27-49)47(59)53-41(16-7-10-28-50)44(56)30-33(2)46(58)52-42(17-8-11-29-51)45(57)31-34(3)48(60)61;1-4-6-11-32-16-18-34(19-17-32)35-20-22-36(23-21-35)41(54)15-9-13-38(53)29-37(12-10-27-49)46(59)52-40(24-25-44(50)57)43(56)30-33(5-2)45(58)51-39(14-7-8-26-48)42(55)28-31(3)47(60)61/h17-28,36-38,44-45,48,52-54,63-64H,8-16,29-35,60H2,1-7H3,(H,61,69)(H,62,70);13-20,30-33,38-40,45-46,49,59-60H,10-12,21-29H2,1-9H3,(H2,55,65)(H,56,68)(H,57,67);19-26,33-34,39,41-42,60-61H,4-18,27-32,49-51H2,1-3H3,(H,52,58)(H,53,59);16-23,31,33,37,39-40,60-61H,4-15,24-30,48-49H2,1-3H3,(H2,50,57)(H,51,58)(H,52,59)/t36-,37-,38-,44-,45+,48+,52+,53?,54+,58+;30-,31-,32-,33-,38?,39+,40+,45+,46?,49+,53+;33-,34-,39-,41+,42+;31-,33-,37-,39+,40+/m1111/s1.

What are the key properties of [(2R,5S)-9-amino-5-[[(2R,5S)-9-amino-5-[[(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-methyl-4-oxononanoyl]amino]-4-oxononan-2-yl]boronic acid;[(2R,5S)-9-amino-5-[[(2R,5S)-8-amino-5-[[(2R)-2-(3-aminopropyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-ethyl-4,8-dioxooctanoyl]amino]-4-oxononan-2-yl]boronic acid;(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-N-[(2R,3S,6R)-2-hydroxy-7-[[(2S,5R)-1-(4-hydroxyphenyl)-3-oxo-5-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexan-2-yl]amino]-6-methyl-4,7-dioxoheptan-3-yl]-4,8-dioxooctanamide;(2R,5S,6R)-N-[(3S,6R)-1-amino-1,4-dioxo-6-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]heptan-3-yl]-5-[[(5R)-5-[[(2R)-4-[4-(4-butylphenyl)phenyl]-2-(hydroxymethyl)-4-oxobutanoyl]amino]-4-oxohexanoyl]-methylamino]-6-hydroxy-2-methyl-4-oxoheptanamide?

[(2R,5S)-9-amino-5-[[(2R,5S)-9-amino-5-[[(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-methyl-4-oxononanoyl]amino]-4-oxononan-2-yl]boronic acid;[(2R,5S)-9-amino-5-[[(2R,5S)-8-amino-5-[[(2R)-2-(3-aminopropyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-ethyl-4,8-dioxooctanoyl]amino]-4-oxononan-2-yl]boronic acid;(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-N-[(2R,3S,6R)-2-hydroxy-7-[[(2S,5R)-1-(4-hydroxyphenyl)-3-oxo-5-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexan-2-yl]amino]-6-methyl-4,7-dioxoheptan-3-yl]-4,8-dioxooctanamide;(2R,5S,6R)-N-[(3S,6R)-1-amino-1,4-dioxo-6-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]heptan-3-yl]-5-[[(5R)-5-[[(2R)-4-[4-(4-butylphenyl)phenyl]-2-(hydroxymethyl)-4-oxobutanoyl]amino]-4-oxohexanoyl]-methylamino]-6-hydroxy-2-methyl-4-oxoheptanamide has a molecular weight of 3656.96 g/mol, XLogP of 23.63, 123 rotatable bonds, 24 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,5S)-9-amino-5-[[(2R,5S)-9-amino-5-[[(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-methyl-4-oxononanoyl]amino]-4-oxononan-2-yl]boronic acid;[(2R,5S)-9-amino-5-[[(2R,5S)-8-amino-5-[[(2R)-2-(3-aminopropyl)-8-[4-(4-butylphenyl)phenyl]-4,8-dioxooctanoyl]amino]-2-ethyl-4,8-dioxooctanoyl]amino]-4-oxononan-2-yl]boronic acid;(2R)-2-(4-aminobutyl)-8-[4-(4-butylphenyl)phenyl]-N-[(2R,3S,6R)-2-hydroxy-7-[[(2S,5R)-1-(4-hydroxyphenyl)-3-oxo-5-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexan-2-yl]amino]-6-methyl-4,7-dioxoheptan-3-yl]-4,8-dioxooctanamide;(2R,5S,6R)-N-[(3S,6R)-1-amino-1,4-dioxo-6-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]heptan-3-yl]-5-[[(5R)-5-[[(2R)-4-[4-(4-butylphenyl)phenyl]-2-(hydroxymethyl)-4-oxobutanoyl]amino]-4-oxohexanoyl]-methylamino]-6-hydroxy-2-methyl-4-oxoheptanamide is sourced from PubChem (CID 160539749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).